# generated using pymatgen
data_ZrNi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.80293943
_cell_length_b   21.52084732
_cell_length_c   51.60245860
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi5
_chemical_formula_sum   'Zr48 Ni240'
_cell_volume   7554.85902909
_cell_formula_units_Z   48
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Zr  Zr1  1  0.753736  0.300121  0.359213  1
  Zr  Zr2  1  0.760674  1.000537  0.316504  1
  Zr  Zr3  1  0.722906  0.702159  0.281227  1
  Zr  Zr4  1  0.251812  0.150113  0.338845  1
  Zr  Zr5  1  0.251608  0.846708  0.296310  1
  Zr  Zr6  1  0.242835  0.556560  0.269729  1
  Zr  Zr7  1  0.251608  0.346708  0.296310  1
  Zr  Zr8  1  0.242835  0.056560  0.269729  1
  Zr  Zr9  1  0.251812  0.650113  0.338845  1
  Zr  Zr10  1  0.722906  0.202159  0.281227  1
  Zr  Zr11  1  0.753736  0.800121  0.359213  1
  Zr  Zr12  1  0.760674  0.500537  0.316504  1
  Zr  Zr13  1  0.755322  0.199074  0.485083  1
  Zr  Zr14  1  0.755831  0.898868  0.442878  1
  Zr  Zr15  1  0.755505  0.598746  0.401170  1
  Zr  Zr16  1  0.255375  0.048928  0.464074  1
  Zr  Zr17  1  0.254771  0.749108  0.422004  1
  Zr  Zr18  1  0.255231  0.449153  0.379574  1
  Zr  Zr19  1  0.254771  0.249108  0.422004  1
  Zr  Zr20  1  0.255231  0.949153  0.379574  1
  Zr  Zr21  1  0.255375  0.548928  0.464074  1
  Zr  Zr22  1  0.755505  0.098746  0.401170  1
  Zr  Zr23  1  0.755322  0.699074  0.485083  1
  Zr  Zr24  1  0.755831  0.398868  0.442878  1
  Zr  Zr25  1  0.755013  0.099127  0.611616  1
  Zr  Zr26  1  0.755486  0.799092  0.568985  1
  Zr  Zr27  1  0.755264  0.499026  0.527076  1
  Zr  Zr28  1  0.253767  0.949127  0.589841  1
  Zr  Zr29  1  0.255603  0.649088  0.548193  1
  Zr  Zr30  1  0.255481  0.349034  0.506067  1
  Zr  Zr31  1  0.255603  0.149088  0.548193  1
  Zr  Zr32  1  0.255481  0.849034  0.506067  1
  Zr  Zr33  1  0.253767  0.449127  0.589841  1
  Zr  Zr34  1  0.755264  0.999026  0.527076  1
  Zr  Zr35  1  0.755013  0.599127  0.611616  1
  Zr  Zr36  1  0.755486  0.299092  0.568985  1
  Zr  Zr37  1  0.704486  0.994719  0.726747  1
  Zr  Zr38  1  0.764305  0.699043  0.695236  1
  Zr  Zr39  1  0.753568  0.398078  0.653263  1
  Zr  Zr40  1  0.257299  0.858207  0.713730  1
  Zr  Zr41  1  0.247246  0.548110  0.673978  1
  Zr  Zr42  1  0.257661  0.248007  0.632263  1
  Zr  Zr43  1  0.247246  0.048110  0.673978  1
  Zr  Zr44  1  0.257661  0.748007  0.632263  1
  Zr  Zr45  1  0.257299  0.358207  0.713730  1
  Zr  Zr46  1  0.753568  0.898078  0.653263  1
  Zr  Zr47  1  0.704486  0.494719  0.726747  1
  Zr  Zr48  1  0.764305  0.199043  0.695236  1
  Ni  Ni49  1  0.005923  0.399346  0.336811  1
  Ni  Ni50  1  0.980472  0.103488  0.300325  1
  Ni  Ni51  1  0.981216  0.785801  0.263355  1
  Ni  Ni52  1  0.368195  0.152729  0.288100  1
  Ni  Ni53  1  0.380039  0.749193  0.369329  1
  Ni  Ni54  1  0.376490  0.448335  0.327970  1
  Ni  Ni55  1  0.627197  0.376076  0.315612  1
  Ni  Ni56  1  0.633933  0.077641  0.275090  1
  Ni  Ni57  1  0.627965  0.673712  0.359804  1
  Ni  Ni58  1  0.059365  0.163457  0.258566  1
  Ni  Ni59  1  0.130238  0.776385  0.337877  1
  Ni  Ni60  1  0.135072  0.466775  0.296157  1
  Ni  Ni61  1  0.878662  0.398221  0.282362  1
  Ni  Ni62  1  0.880934  0.999160  0.369529  1
  Ni  Ni63  1  0.876003  0.700791  0.329728  1
  Ni  Ni64  1  0.491267  0.251248  0.317699  1
  Ni  Ni65  1  0.510412  0.955053  0.280966  1
  Ni  Ni66  1  0.510208  0.549216  0.359277  1
  Ni  Ni67  1  0.869546  0.301344  0.307808  1
  Ni  Ni68  1  0.893490  0.009145  0.266848  1
  Ni  Ni69  1  0.878846  0.599629  0.349456  1
  Ni  Ni70  1  0.114406  0.220869  0.297551  1
  Ni  Ni71  1  0.132792  0.824470  0.379957  1
  Ni  Ni72  1  0.123937  0.525134  0.336327  1
  Ni  Ni73  1  0.614673  0.321426  0.273962  1
  Ni  Ni74  1  0.633001  0.925087  0.358423  1
  Ni  Ni75  1  0.627096  0.624847  0.318097  1
  Ni  Ni76  1  0.345914  0.249406  0.264394  1
  Ni  Ni77  1  0.384877  0.848679  0.348300  1
  Ni  Ni78  1  0.396683  0.548562  0.310404  1
  Ni  Ni79  1  0.510412  0.455053  0.280966  1
  Ni  Ni80  1  0.510208  0.049216  0.359277  1
  Ni  Ni81  1  0.491267  0.751248  0.317699  1
  Ni  Ni82  1  0.878846  0.099629  0.349456  1
  Ni  Ni83  1  0.869546  0.801344  0.307808  1
  Ni  Ni84  1  0.893490  0.509145  0.266848  1
  Ni  Ni85  1  0.132792  0.324470  0.379957  1
  Ni  Ni86  1  0.123937  0.025134  0.336327  1
  Ni  Ni87  1  0.114406  0.720869  0.297551  1
  Ni  Ni88  1  0.627096  0.124847  0.318097  1
  Ni  Ni89  1  0.614673  0.821426  0.273962  1
  Ni  Ni90  1  0.633001  0.425087  0.358423  1
  Ni  Ni91  1  0.384877  0.348679  0.348300  1
  Ni  Ni92  1  0.396683  0.048562  0.310404  1
  Ni  Ni93  1  0.345914  0.749406  0.264394  1
  Ni  Ni94  1  0.981216  0.285801  0.263355  1
  Ni  Ni95  1  0.005923  0.899346  0.336811  1
  Ni  Ni96  1  0.980472  0.603488  0.300325  1
  Ni  Ni97  1  0.380039  0.249193  0.369329  1
  Ni  Ni98  1  0.376490  0.948335  0.327970  1
  Ni  Ni99  1  0.368195  0.652729  0.288100  1
  Ni  Ni100  1  0.627965  0.173712  0.359804  1
  Ni  Ni101  1  0.627197  0.876076  0.315612  1
  Ni  Ni102  1  0.633933  0.577641  0.275090  1
  Ni  Ni103  1  0.130238  0.276385  0.337877  1
  Ni  Ni104  1  0.135072  0.966775  0.296157  1
  Ni  Ni105  1  0.059365  0.663457  0.258566  1
  Ni  Ni106  1  0.876003  0.200791  0.329728  1
  Ni  Ni107  1  0.878662  0.898221  0.282362  1
  Ni  Ni108  1  0.880934  0.499160  0.369529  1
  Ni  Ni109  1  0.005692  0.299048  0.464028  1
  Ni  Ni110  1  0.006279  0.998733  0.421988  1
  Ni  Ni111  1  0.004086  0.699299  0.380323  1
  Ni  Ni112  1  0.380635  0.048973  0.411677  1
  Ni  Ni113  1  0.379961  0.649103  0.495617  1
  Ni  Ni114  1  0.379702  0.349075  0.453485  1
  Ni  Ni115  1  0.631202  0.274213  0.443107  1
  Ni  Ni116  1  0.630026  0.973675  0.400873  1
  Ni  Ni117  1  0.630085  0.573780  0.485103  1
  Ni  Ni118  1  0.133335  0.073079  0.379980  1
  Ni  Ni119  1  0.130598  0.674020  0.464055  1
  Ni  Ni120  1  0.129843  0.374375  0.421944  1
  Ni  Ni121  1  0.880295  0.298863  0.411278  1
  Ni  Ni122  1  0.880072  0.898891  0.495446  1
  Ni  Ni123  1  0.879332  0.599001  0.453681  1
  Ni  Ni124  1  0.505251  0.149030  0.443138  1
  Ni  Ni125  1  0.505151  0.849227  0.400879  1
  Ni  Ni126  1  0.505743  0.448919  0.484973  1
  Ni  Ni127  1  0.879873  0.199116  0.432639  1
  Ni  Ni128  1  0.879728  0.899079  0.390341  1
  Ni  Ni129  1  0.879959  0.498947  0.474548  1
  Ni  Ni130  1  0.129171  0.123456  0.422118  1
  Ni  Ni131  1  0.130473  0.723904  0.506065  1
  Ni  Ni132  1  0.130869  0.423967  0.464026  1
  Ni  Ni133  1  0.628969  0.224412  0.401323  1
  Ni  Ni134  1  0.630068  0.824215  0.485063  1
  Ni  Ni135  1  0.630742  0.523724  0.443064  1
  Ni  Ni136  1  0.378318  0.149201  0.391012  1
  Ni  Ni137  1  0.379851  0.748980  0.474479  1
  Ni  Ni138  1  0.379676  0.448872  0.432349  1
  Ni  Ni139  1  0.505151  0.349227  0.400879  1
  Ni  Ni140  1  0.505743  0.948919  0.484973  1
  Ni  Ni141  1  0.505251  0.649030  0.443138  1
  Ni  Ni142  1  0.879959  0.998947  0.474548  1
  Ni  Ni143  1  0.879873  0.699116  0.432639  1
  Ni  Ni144  1  0.879728  0.399079  0.390341  1
  Ni  Ni145  1  0.130473  0.223904  0.506065  1
  Ni  Ni146  1  0.130869  0.923967  0.464026  1
  Ni  Ni147  1  0.129171  0.623456  0.422118  1
  Ni  Ni148  1  0.630742  0.023724  0.443064  1
  Ni  Ni149  1  0.628969  0.724412  0.401323  1
  Ni  Ni150  1  0.630068  0.324215  0.485063  1
  Ni  Ni151  1  0.379851  0.248980  0.474479  1
  Ni  Ni152  1  0.379676  0.948872  0.432349  1
  Ni  Ni153  1  0.378318  0.649201  0.391012  1
  Ni  Ni154  1  0.004086  0.199299  0.380323  1
  Ni  Ni155  1  0.005692  0.799048  0.464028  1
  Ni  Ni156  1  0.006279  0.498733  0.421988  1
  Ni  Ni157  1  0.379961  0.149103  0.495617  1
  Ni  Ni158  1  0.379702  0.849075  0.453485  1
  Ni  Ni159  1  0.380635  0.548973  0.411677  1
  Ni  Ni160  1  0.630085  0.073780  0.485103  1
  Ni  Ni161  1  0.631202  0.774213  0.443107  1
  Ni  Ni162  1  0.630026  0.473675  0.400873  1
  Ni  Ni163  1  0.130598  0.174020  0.464055  1
  Ni  Ni164  1  0.129843  0.874375  0.421944  1
  Ni  Ni165  1  0.133335  0.573079  0.379980  1
  Ni  Ni166  1  0.879332  0.099001  0.453681  1
  Ni  Ni167  1  0.880295  0.798863  0.411278  1
  Ni  Ni168  1  0.880072  0.398891  0.495446  1
  Ni  Ni169  1  0.005891  0.199107  0.590085  1
  Ni  Ni170  1  0.005061  0.899022  0.548020  1
  Ni  Ni171  1  0.005421  0.599075  0.506127  1
  Ni  Ni172  1  0.379659  0.949114  0.537577  1
  Ni  Ni173  1  0.377326  0.548288  0.621117  1
  Ni  Ni174  1  0.380391  0.249035  0.579771  1
  Ni  Ni175  1  0.630523  0.173915  0.569148  1
  Ni  Ni176  1  0.630725  0.874130  0.527044  1
  Ni  Ni177  1  0.630730  0.474104  0.611170  1
  Ni  Ni178  1  0.130205  0.974125  0.506076  1
  Ni  Ni179  1  0.128011  0.574838  0.590183  1
  Ni  Ni180  1  0.130954  0.273934  0.548068  1
  Ni  Ni181  1  0.880026  0.198956  0.537586  1
  Ni  Ni182  1  0.881908  0.798775  0.621040  1
  Ni  Ni183  1  0.878975  0.499180  0.579574  1
  Ni  Ni184  1  0.505725  0.049107  0.569177  1
  Ni  Ni185  1  0.505572  0.748997  0.527072  1
  Ni  Ni186  1  0.505740  0.349054  0.611130  1
  Ni  Ni187  1  0.878959  0.099096  0.558638  1
  Ni  Ni188  1  0.879962  0.799062  0.516574  1
  Ni  Ni189  1  0.879129  0.399264  0.600728  1
  Ni  Ni190  1  0.130002  0.024175  0.548115  1
  Ni  Ni191  1  0.134192  0.623857  0.632742  1
  Ni  Ni192  1  0.130986  0.324121  0.589907  1
  Ni  Ni193  1  0.630376  0.124172  0.527074  1
  Ni  Ni194  1  0.632245  0.723546  0.611197  1
  Ni  Ni195  1  0.629987  0.424172  0.569125  1
  Ni  Ni196  1  0.379620  0.049065  0.516608  1
  Ni  Ni197  1  0.380652  0.648747  0.600694  1
  Ni  Ni198  1  0.380356  0.348865  0.558473  1
  Ni  Ni199  1  0.505572  0.248997  0.527072  1
  Ni  Ni200  1  0.505740  0.849054  0.611130  1
  Ni  Ni201  1  0.505725  0.549107  0.569177  1
  Ni  Ni202  1  0.879129  0.899264  0.600728  1
  Ni  Ni203  1  0.878959  0.599096  0.558638  1
  Ni  Ni204  1  0.879962  0.299062  0.516574  1
  Ni  Ni205  1  0.134192  0.123857  0.632742  1
  Ni  Ni206  1  0.130986  0.824121  0.589907  1
  Ni  Ni207  1  0.130002  0.524175  0.548115  1
  Ni  Ni208  1  0.629987  0.924172  0.569125  1
  Ni  Ni209  1  0.630376  0.624172  0.527074  1
  Ni  Ni210  1  0.632245  0.223546  0.611197  1
  Ni  Ni211  1  0.380652  0.148747  0.600694  1
  Ni  Ni212  1  0.380356  0.848865  0.558473  1
  Ni  Ni213  1  0.379620  0.549065  0.516608  1
  Ni  Ni214  1  0.005421  0.099075  0.506127  1
  Ni  Ni215  1  0.005891  0.699107  0.590085  1
  Ni  Ni216  1  0.005061  0.399022  0.548020  1
  Ni  Ni217  1  0.377326  0.048288  0.621117  1
  Ni  Ni218  1  0.380391  0.749035  0.579771  1
  Ni  Ni219  1  0.379659  0.449114  0.537577  1
  Ni  Ni220  1  0.630730  0.974104  0.611170  1
  Ni  Ni221  1  0.630523  0.673915  0.569148  1
  Ni  Ni222  1  0.630725  0.374130  0.527044  1
  Ni  Ni223  1  0.128011  0.074838  0.590183  1
  Ni  Ni224  1  0.130954  0.773934  0.548068  1
  Ni  Ni225  1  0.130205  0.474125  0.506076  1
  Ni  Ni226  1  0.878975  0.999180  0.579574  1
  Ni  Ni227  1  0.880026  0.698956  0.537586  1
  Ni  Ni228  1  0.881908  0.298775  0.621040  1
  Ni  Ni229  1  0.973116  0.087129  0.706822  1
  Ni  Ni230  1  0.004015  0.802715  0.672745  1
  Ni  Ni231  1  1.002228  0.497920  0.632225  1
  Ni  Ni232  1  0.377092  0.848118  0.663593  1
  Ni  Ni233  1  0.359693  0.454128  0.747652  1
  Ni  Ni234  1  0.372264  0.156493  0.709704  1
  Ni  Ni235  1  0.603752  0.078778  0.693639  1
  Ni  Ni236  1  0.638285  0.774885  0.652596  1
  Ni  Ni237  1  0.600067  0.373967  0.736740  1
  Ni  Ni238  1  0.129928  0.873537  0.631961  1
  Ni  Ni239  1  0.112677  0.478595  0.715967  1
  Ni  Ni240  1  0.129785  0.171263  0.676135  1
  Ni  Ni241  1  0.868786  0.098462  0.661989  1
  Ni  Ni242  1  0.031578  0.666805  0.737066  1
  Ni  Ni243  1  0.880923  0.393891  0.705892  1
  Ni  Ni244  1  0.487091  0.946857  0.692233  1
  Ni  Ni245  1  0.504672  0.648207  0.653245  1
  Ni  Ni246  1  0.497801  0.258129  0.728313  1
  Ni  Ni247  1  0.864508  0.995132  0.682157  1
  Ni  Ni248  1  0.887016  0.699830  0.642657  1
  Ni  Ni249  1  0.862800  0.291553  0.729163  1
  Ni  Ni250  1  0.126630  0.924708  0.673725  1
  Ni  Ni251  1  0.007666  0.553201  0.751033  1
  Ni  Ni252  1  0.139532  0.247696  0.711081  1
  Ni  Ni253  1  0.617233  0.023584  0.653451  1
  Ni  Ni254  1  0.687601  0.620521  0.735741  1
  Ni  Ni255  1  0.630911  0.325401  0.694693  1
  Ni  Ni256  1  0.378023  0.947738  0.642172  1
  Ni  Ni257  1  0.343086  0.558756  0.728214  1
  Ni  Ni258  1  0.394413  0.245979  0.681928  1
  Ni  Ni259  1  0.504672  0.148207  0.653245  1
  Ni  Ni260  1  0.497801  0.758129  0.728313  1
  Ni  Ni261  1  0.487091  0.446857  0.692233  1
  Ni  Ni262  1  0.862800  0.791553  0.729163  1
  Ni  Ni263  1  0.864508  0.495132  0.682157  1
  Ni  Ni264  1  0.887016  0.199830  0.642657  1
  Ni  Ni265  1  0.007666  0.053201  0.751033  1
  Ni  Ni266  1  0.139532  0.747696  0.711081  1
  Ni  Ni267  1  0.126630  0.424708  0.673725  1
  Ni  Ni268  1  0.630911  0.825401  0.694693  1
  Ni  Ni269  1  0.617233  0.523584  0.653451  1
  Ni  Ni270  1  0.687601  0.120521  0.735741  1
  Ni  Ni271  1  0.343086  0.058756  0.728214  1
  Ni  Ni272  1  0.394413  0.745979  0.681928  1
  Ni  Ni273  1  0.378023  0.447738  0.642172  1
  Ni  Ni274  1  1.002228  0.997920  0.632225  1
  Ni  Ni275  1  0.973116  0.587129  0.706822  1
  Ni  Ni276  1  0.004015  0.302715  0.672745  1
  Ni  Ni277  1  0.359693  0.954128  0.747652  1
  Ni  Ni278  1  0.372264  0.656493  0.709704  1
  Ni  Ni279  1  0.377092  0.348118  0.663593  1
  Ni  Ni280  1  0.600067  0.873967  0.736740  1
  Ni  Ni281  1  0.603752  0.578778  0.693639  1
  Ni  Ni282  1  0.638285  0.274885  0.652596  1
  Ni  Ni283  1  0.112677  0.978595  0.715967  1
  Ni  Ni284  1  0.129785  0.671263  0.676135  1
  Ni  Ni285  1  0.129928  0.373537  0.631961  1
  Ni  Ni286  1  0.880923  0.893891  0.705892  1
  Ni  Ni287  1  0.868786  0.598462  0.661989  1
  Ni  Ni288  1  0.031578  0.166805  0.737066  1
